Vitas-M small molecule compound

5-[4-(benzyloxy)-3-methoxyphenyl]-7,9-dichloro-2-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK740093
SMILES COc1cc(ccc1OCc1ccccc1)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccc(c(c1)OC)OC)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H28Cl2N2O5 MW 591.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28Cl2N2O5/c1-37-27-11-9-20(13-29(27)38-2)25-17-26-23-15-22(33)16-24(34)31(23)41-32(36(26)35-25)21-10-12-28(30(14-21)39-3)40-18-19-7-5-4-6-8-19/h4-16,26,32H,17-18H2,1-3H3
InChIKey
JUGCSAGXESXYFP-UHFFFAOYSA-N
Synonyms

4(9(34DIMETHOXYPHENYL)24DICHLORO(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL))2METHOXY1(PHENYLMETHOXY)BENZENE
5(4(benzyloxy)3methoxyphenyl)79dichloro2(34dimethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazine
5(4(benzyloxy)3methoxyphenyl)79dichloro2(34dimethoxyphenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
79DICHLORO2(34DIMETHOXYPHENYL)5(3METHOXY4PHENYLMETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=CC(=CC(=C4OC3C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)Cl)Cl)OC
InChI=1SC32H28Cl2N2O5c1372711920(1329(27)382)251726231522(33)1624(34)31(23)4132(36(26)3525)21101228(30(1421)393)4018197546819h4162632H1718H213H3
MFCD03284062
ZINC000097999583
ZINC000102973036

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.